| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| O355745-100mg |
100mg |
期货  |
|
| 英文别名 | Monofluorazijnzuur [Dutch] | Oxiconazolum | BRD-K56104152-008-03-3 | Oxiconazole (INN) | AMY32552 | Oxiconazol [INN-Spanish] | AB01275511_02 | AKOS015906762 | BIDD:GT0685 | OXICONAZOLE [WHO-DD] | NCGC00181092-01 | (1Z)-N-((2,4-dichlorobenzyl)oxy)-1-(2,4-d |
|---|---|
| 规格或纯度 | ≥97% |
| 英文名称 | Oxiconazole |
| 储存温度 | 室温 |
| 运输条件 | 常规运输 |
| 纯度 | ≥97% |
| pKa值 | pKa: 6.14 (Predicted) |
|---|---|
| Ki Data | ADORA3 protein: Ki= 358.6 nM (human); Serotonin transporter: Ki= 425.1 nM (human); Alpha-2c adrenergic receptor: Ki= 605.1 nM (human); Dopamine D3 receptor: Ki= 677.1 nM (human) |
| IC50 | Cytochrome P450 2C19: IC₅₀= 40 nM (human); Cytochrome P450 3A4: IC₅₀= 90 nM (human); Thromboxane-A synthase: IC₅₀= 617.4 nM (human); ADORA3 protein: IC₅₀= 634.5 nM (human); Serotonin transporter: IC₅₀= 800.1 nM (human) |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine |
| INCHI | 1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+ |
| InChi Key | QRJJEGAJXVEBNE-HKOYGPOVSA-N |
| Smiles | C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl |
| 分子量 | 429.14 |
| Reaxy-Rn | 630359 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=630359&ln= |
| 密度 | 1.42 g/mL |
|---|---|
| 折光率 | n20D1.64 |
| 沸点 | 576.8° C at 760 mmHg |
| 分子量 | 429.100 g/mol |
| XLogP3 | 6.100 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 428.978 Da |
| 单同位素质量Monoisotopic Mass | 426.981 Da |
| 拓扑极表面积Topological Polar Surface Area | 39.400 Ų |
| 重原子数Heavy Atom Count | 26 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 481.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 1 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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